| Properties | Image |
|---|
| MNX_ID | MNXM40282 |
 |
| reference | metacycM:CPD-9429 |
| formula | C13H19N5O7P |
| global charge | -1 |
| mol weight | 388.297 |
| InChIKey | XAMXMSZRQHPMRX-QYVSTXNMSA-M |
| InChI | InChI=1S/C13H20N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H,21,22)(H2,14,15,16)/p-1/t7-,9-,10-,13-/m1/s1 |
| SMILES | CCCOP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C13H20N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][O:23][P:26]([OH:21])(=[O:22])[O:24][CH2:4][C@@H:7]1[C@@H:9]([OH:19])[C@@H:10]([OH:20])[C@H:13]([N:18]2[CH:6]=[N:17][C:8]3=[C:11]([NH2:14])[N:15]=[CH:5][N:16]=[C:12]32)[O:25]1 |
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